Ismaylova Sheyda R, Matsulevich Zhanna V, Borisova Galina N, Borisov Alexander V, Khrustalev Victor N
Baku State University, Z. Khalilov St 23, Baku AZ-1148, Azerbaijan.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m875-6. doi: 10.1107/S1600536812024026. Epub 2012 Jun 13.
The title compound, [SnCl₂(C₅H₄NS)₂], is the product of reaction of 2,2'-dipyridyl disulfide with tin tetra-chloride. The Sn(IV) atom adopts a distorted octa-hedral geometry, with the two bidentate pyridine-2-thiol-ate ligands forming two planar four-membered chelate rings. The two Sn-Cl, two Sn-N and two Sn-S bonds are in cis, cis and trans configurations, respectively. The crystal grown from acetonitrile represents a new monoclinic polymorph in space group C2/c with the mol-ecule having twofold rotational symmetry, the Sn(IV) atom lying on the twofold axis. The mol-ecular structure of the monoclinic polymorph is very close to that of the triclinic polymorph studied previously in space group P-1, the mol-ecule occupying a general position [Masaki & Matsunami (1976 ▶). Bull. Chem. Soc. Jpn, 49, 3274-3279; Masaki et al. (1978 ▶). Bull. Chem. Soc. Jpn, 51, 3298-3301]. Apparently, the formation of the two polymorphs is determined by the different systems of inter-molecular inter-actions. In the crystal of the monoclinic polymorph, mol-ecules are bound into ribbons along the c axis by C-H⋯Cl hydrogen bonds, whereas in the crystal of the triclinic polymorph, mol-ecules form chains along the a axis by attractive S⋯S inter-actions. The crystal studied was a pseudo-merohedral twin; the refined BASF value is 0.221 (1).
标题化合物[SnCl₂(C₅H₄NS)₂]是2,2'-二吡啶二硫化物与四氯化锡反应的产物。Sn(IV)原子采用扭曲的八面体几何构型，两个双齿吡啶-2-硫醇盐配体形成两个平面四元螯合环。两条Sn-Cl键、两条Sn-N键和两条Sn-S键分别处于顺式、顺式和反式构型。从乙腈中生长出的晶体代表空间群为C2/c的一种新的单斜多晶型物，分子具有二重旋转对称性，Sn(IV)原子位于二重轴上。该单斜多晶型物的分子结构与先前在空间群P-1中研究的三斜多晶型物非常接近，分子占据一般位置[Masaki & Matsunami (1976 ▶). Bull. Chem. Soc. Jpn, 49, 3274 - 3279; Masaki等人(1978 ▶). Bull. Chem. Soc. Jpn, 51, 3298 - 3301]。显然，两种多晶型物的形成是由不同的分子间相互作用体系决定的。在单斜多晶型物的晶体中，分子通过C-H⋯Cl氢键沿c轴结合成带状，而在三斜多晶型物的晶体中，分子通过吸引性的S⋯S相互作用沿a轴形成链状。所研究的晶体是一个假半面体孪晶；精修的BASF值为0.221 (1)。
